Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.3598    0.1993   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249    0.6318   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    0.0007    0.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576    0.3999    0.5167 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.0092    0.3384    1.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    2.0559   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4495    3.1017    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    2.3275   -1.8282 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3253   -0.7393   -0.3826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724   -1.7914    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -2.8633   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780   -0.7234   -0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6228   -0.0389    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0852    0.9603   -0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9016    1.7382   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5689    0.3906   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0656    2.9511    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6004    4.1094    0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3364   -1.3920    1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235   -2.1683    0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416   -2.8620    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585   -3.8596    0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128   -2.7664   -1.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers